Monomers
1-Octene
Identifiers
IUPAC name
oct-1-ene
InchI
InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3
InchI Key
KWKAKUADMBZCLK-UHFFFAOYSA-N
SMILES
CCCCCCC=C
Canonical SMILES
CCCCCCC=C
Isomeric SMILES
CCCCCCC=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H16
Heavy Atom Count
8
Molecular Weight
112.216
Exact Molecular Weight
112.1252
Valence Electrons
48
Radical Electrons
0
tPSA
0.0
MolLogP
3.1428
H Bond Acceptors
0
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
24 23 0 0 0 0 0 0 0 0999 V2000
-3.2996 0.1918 -1.6725 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3206 -0.7838 -1.1103 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2431 -0.0343 -0.3120 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2806 -1.0479 0.2354 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8370 -0.4641 1.0566 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6332 0.4782 0.2131 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7647 1.0947 0.9378 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0216 0.9448 0.5518 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3201 -0.2646 -1.7961 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4230 1.1019 -1.0487 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0257 0.5295 -2.7105 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7697 -1.5543 -0.4641 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7859 -1.3094 -1.9485 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7240 0.6746 -1.0186 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7142 0.5029 0.5329 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8551 -1.8073 0.8275 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1199 -1.6240 -0.6360 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4641 -1.3219 1.3880 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3542 0.0458 1.9294 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9394 1.3116 -0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9934 -0.0813 -0.6711 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5774 1.6927 1.8168 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2081 0.3322 -0.3480 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8484 1.3922 1.0769 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 2 3
1 9 1 0
1 10 1 0
1 11 1 0
2 12 1 0
2 13 1 0
3 14 1 0
3 15 1 0
4 16 1 0
4 17 1 0
5 18 1 0
5 19 1 0
6 20 1 0
6 21 1 0
7 22 1 0
8 23 1 0
8 24 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers